7-(cyclohexylamino)-2-phenyl-1H-1,8-naphthyridin-4-one

C20H21N3O — CID 11415926

IUPAC7-(cyclohexylamino)-2-phenyl-1H-1,8-naphthyridin-4-one
SMILESO=c1cc(-c2ccccc2)[nH]c2nc(NC3CCCCC3)ccc12
InChIInChI=1S/C20H21N3O/c24-18-13-17(14-7-3-1-4-8-14)22-20-16(18)11-12-19(23-20)21-15-9-5-2-6-10-15/h1,3-4,7-8,11-13,15H,2,5-6,9-10H2,(H2,21,22,23,24)
InChIKeyZDODJZMITPPZHF-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.33
Rot. Bonds3

About 7-(cyclohexylamino)-2-phenyl-1H-1,8-naphthyridin-4-one

7-(cyclohexylamino)-2-phenyl-1H-1,8-naphthyridin-4-one (PubChem CID 11415926) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 7-(cyclohexylamino)-2-phenyl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name7-(cyclohexylamino)-2-phenyl-1H-1,8-naphthyridin-4-one
PubChem CID11415926
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name7-(cyclohexylamino)-2-phenyl-1H-1,8-naphthyridin-4-one
SMILESO=c1cc(-c2ccccc2)[nH]c2nc(NC3CCCCC3)ccc12
InChIInChI=1S/C20H21N3O/c24-18-13-17(14-7-3-1-4-8-14)22-20-16(18)11-12-19(23-20)21-15-9-5-2-6-10-15/h1,3-4,7-8,11-13,15H,2,5-6,9-10H2,(H2,21,22,23,24)
InChIKeyZDODJZMITPPZHF-UHFFFAOYSA-N
XLogP4.33
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclohexylamino)-2-phenyl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 7-(cyclohexylamino)-2-phenyl-1H-1,8-naphthyridin-4-one (CID 11415926) is 7-(cyclohexylamino)-2-phenyl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 7-(cyclohexylamino)-2-phenyl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 7-(cyclohexylamino)-2-phenyl-1H-1,8-naphthyridin-4-one is O=c1cc(-c2ccccc2)[nH]c2nc(NC3CCCCC3)ccc12.
What is the InChIKey of 7-(cyclohexylamino)-2-phenyl-1H-1,8-naphthyridin-4-one?
The InChIKey is ZDODJZMITPPZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c24-18-13-17(14-7-3-1-4-8-14)22-20-16(18)11-12-19(23-20)21-15-9-5-2-6-10-15/h1,3-4,7-8,11-13,15H,2,5-6,9-10H2,(H2,21,22,23,24).
What are the key properties of 7-(cyclohexylamino)-2-phenyl-1H-1,8-naphthyridin-4-one?
7-(cyclohexylamino)-2-phenyl-1H-1,8-naphthyridin-4-one has a molecular weight of 319.41 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohexylamino)-2-phenyl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 11415926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).